Pages that link to "Q57831503"
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The following pages link to Structure and dynamics of liquid water with different long-range interaction truncation and temperature control methods in molecular dynamics simulations (Q57831503):
Displaying 38 items.
- Similarities and differences in interaction of K+ and Na+ with condensed ordered DNA. A molecular dynamics computer simulation study (Q24540175) (← links)
- CHARMM: the biomolecular simulation program (Q24658108) (← links)
- The ELBA force field for coarse-grain modeling of lipid membranes (Q34110221) (← links)
- Gaussian split Ewald: A fast Ewald mesh method for molecular simulation (Q34399119) (← links)
- A consistent force field parameter set for zwitterionic amino acid residues. (Q35359482) (← links)
- Force fields for protein simulations (Q35590728) (← links)
- Force Field Benchmark of Organic Liquids: Density, Enthalpy of Vaporization, Heat Capacities, Surface Tension, Isothermal Compressibility, Volumetric Expansion Coefficient, and Dielectric Constant (Q35661996) (← links)
- Toward the correction of effective electrostatic forces in explicit-solvent molecular dynamics simulations: restraints on solvent-generated electrostatic potential and solvent polarization (Q35751567) (← links)
- On the application of accelerated molecular dynamics to liquid water simulations (Q36914992) (← links)
- Classical electrostatics for biomolecular simulations (Q37626128) (← links)
- Non-Ewald methods: theory and applications to molecular systems (Q38072043) (← links)
- Intrinsic Free Energy of the Conformational Transition of the KcsA Signature Peptide from Conducting to Nonconducting State (Q39845752) (← links)
- A tree-based algorithm for determining the effects of solvation on the structure of salivary gland tripeptide NH3+-D-PHE-D-GLU-GLY-COO-. (Q40251463) (← links)
- Kirkwood-Buff analysis of aqueous N-methylacetamide and acetamide solutions modeled by the CHARMM additive and Drude polarizable force fields. (Q41963460) (← links)
- Implicit Solvent Model for Million-Atom Atomistic Simulations: Insights into the Organization of 30-nm Chromatin Fiber (Q42380595) (← links)
- An N log N approximation based on the natural organization of biomolecules for speeding up the computation of long range interactions (Q42921248) (← links)
- A modified TIP3P water potential for simulation with Ewald summation (Q45154346) (← links)
- Computing accurate potentials of mean force in electrolyte solutions with the generalized gradient-augmented harmonic Fourier beads method. (Q45972773) (← links)
- Generalized gradient-augmented harmonic Fourier beads method with multiple atomic and/or center-of-mass positional restraints (Q46567008) (← links)
- Molecular dynamics simulations demonstrate the regulation of DNA-DNA attraction by H4 histone tail acetylations and mutations (Q46904611) (← links)
- Real space electrostatics for multipoles. III. Dielectric properties. (Q48687033) (← links)
- Bayesian uncertainty quantification and propagation in molecular dynamics simulations: a high performance computing framework (Q51310663) (← links)
- Simple and accurate scheme to compute electrostatic interaction: zero-dipole summation technique for molecular system and application to bulk water (Q51333111) (← links)
- A combination of the tree-code and IPS method to simulate large scale systems by molecular dynamics. (Q51501770) (← links)
- Comparison of the accuracy of periodic reaction field methods in molecular dynamics simulations of a model liquid crystal system. (Q51662402) (← links)
- Semiquantum molecular dynamics simulation of liquid water by time-dependent Hartree approach. (Q51800266) (← links)
- Electrostatic energies and forces computed without explicit interparticle interactions: a linear time complexity formulation. (Q51977111) (← links)
- A lithium-oxygen battery with a long cycle life in an air-like atmosphere. (Q52346504) (← links)
- Design of a reaction field using a linear-combination-based isotropic periodic sum method. (Q53601873) (← links)
- Critical test of isotropic periodic sum techniques with group-based cut-off schemes. (Q54952352) (← links)
- Extremely precise free energy calculations of amino acid side chain analogs: Comparison of common molecular mechanics force fields for proteins (Q56776034) (← links)
- Nonequilibrium Molecular Dynamics Simulation of Nanobubble Growth and Annihilation in Liquid Water (Q57607089) (← links)
- A molecular dynamics study of Cyclophilin A free and in complex with the Ala-Pro dipeptide (Q57831469) (← links)
- Chapter 2 Electrostatics in Biomolecular Simulations: Where Are We Now and Where Are We Heading? (Q58454496) (← links)
- A fast and accurate computational method for the linear-combination-based isotropic periodic sum (Q58795948) (← links)
- An experimentally validated approach to calculate the blood-brain barrier permeability of small molecules (Q64110933) (← links)
- Analysis of the effect of electrostatic energy truncation in molecular dynamics simulations of immunoglobulin G light chain dimer (Q73749084) (← links)
- Liquid water simulation: a critical examination of cutoff length (Q83992618) (← links)